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3-iodanyl-3-(4-methylphenyl)sulfonyl-propanoic acid
SpectraBase Compound ID 55pLUR6FdVo
InChI InChI=1S/C10H11IO4S/c1-7-2-4-8(5-3-7)16(14,15)9(11)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChIKey LVSKTFKRWRVADR-UHFFFAOYSA-N
Mol Weight 354.16 g/mol
Molecular Formula C10H11IO4S
Exact Mass 353.942275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KloOhyc5XEY
Name 3-iodanyl-3-(4-methylphenyl)sulfonyl-propanoic acid
Alternate Name(s) 3-iodo-3-(p-tolylsulfonyl)propanoic acid 3-iodo-3-tosyl-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11IO4S
InChI InChI=1S/C10H11IO4S/c1-7-2-4-8(5-3-7)16(14,15)9(11)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChIKey LVSKTFKRWRVADR-UHFFFAOYSA-N
Molecular Weight 354.158 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)I)=O
SPLASH splash10-000f-9501000000-b7599df62869befce735
Source of Spectrum J-59-3206-12
Wiley ID 1344190